In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 17 | Yes |
Popular Name: N'-[(4R)-8-fluorothiochroman-4-yl]-N,N-dimethyl-ethane-1,2-diamine N'-[(4R)-8-fluorothiochroman-4-y…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.44 | 5.49 | -48.49 | 2 | 2 | 1 | 20 | 255.382 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.44 | 4.31 | -5.34 | 1 | 2 | 0 | 15 | 254.374 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.44 | 7.96 | -131.1 | 3 | 2 | 2 | 21 | 256.39 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.44 | 6.8 | -39.53 | 2 | 2 | 1 | 16 | 255.382 | 4 | ↓ |